NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
2848 1cnn 4500 cing 1-original 4 XPLOR/CNS dihedral angle


! phi angles
!! 1   
 assign (resid   7 and name C )   (resid   8 and name N ) 
        (resid   8 and name CA)   (resid   8 and name C )   1 -120.0   30.0  2
!! 2   
 assign (resid   8 and name C )   (resid   9 and name N ) 
        (resid   9 and name CA)   (resid   9 and name C )   1 -120.0   30.0  2
!! 2   
 assign (resid  11 and name C )   (resid  12 and name N ) 
        (resid  12 and name CA)   (resid  12 and name C )   1 -120.0   40.0  2
!! 2   
 assign (resid  13 and name C )   (resid  14 and name N ) 
        (resid  14 and name CA)   (resid  14 and name C )   1 -120.0   40.0  2
!! 3   
 assign (resid  18 and name C )   (resid  19 and name N ) 
        (resid  19 and name CA)   (resid  19 and name C )   1 -120.0   50.0  2
!! 3   
 assign (resid  22 and name C )   (resid  23 and name N ) 
        (resid  23 and name CA)   (resid  23 and name C )   1 -120.0   40.0  2
!! 4
 assign (resid  24 and name C )   (resid  25 and name N ) 
        (resid  25 and name CA)   (resid  25 and name C )   1 -120.0   30.0  2
!! 5     
 assign (resid  3 and name C )    (resid   4 and name N )
        (resid  4 and name CA)    (resid   4 and name C )   1 -65.0   30.0  2
!! 6
 assign (resid  5 and name C )    (resid   6 and name N )
        (resid  6 and name CA)    (resid   6 and name C )   1 -65.0   30.0  2
!! 7
 assign (resid  9 and name C )    (resid  10 and name N )
        (resid 10 and name CA)    (resid  10 and name C )   1 -65.0   30.0  2
!! 8
 assign (resid 15 and name C )    (resid  16 and name N )
        (resid 16 and name CA)    (resid  16 and name C )   1 -65.0   30.0  2 
!! 9
 assign (resid 21 and name C )    (resid  22 and name N )
        (resid 22 and name CA)    (resid  22 and name C )   1 -65.0   30.0  2
!! 10
 assign (resid 25 and name C )    (resid  26 and name N )
        (resid 26 and name CA)    (resid  26 and name C )   1 -65.0   30.0  2
!! 11
 assign (resid  1 and name C )    (resid   2 and name N )
        (resid  2 and name CA)    (resid   2 and name C )   1 -120.0  50.0  2
!! 12
 assign (resid  6 and name C )    (resid   7 and name N )
        (resid  7 and name CA)    (resid   7 and name C )   1 -90.0   70.0  2
!! 13
 assign (resid 14 and name C )    (resid  15 and name N )
        (resid 15 and name CA)    (resid  15 and name C )   1 -90.0   70.0  2
!! 14
 assign (resid 16 and name C )    (resid  17 and name N )
        (resid 17 and name CA)    (resid  17 and name C )   1 -90.0   70.0  2
!! 15
 assign (resid 19 and name C )    (resid  20 and name N )
        (resid 20 and name CA)    (resid  20 and name C )   1 -90.0   70.0  2


!! determined from structures
!! 1
assign (resid  4 and name C )    (resid   5 and name N )
       (resid  5 and name CA)    (resid   5 and name C )   1  90.0   50.0  2
!! 2
assign (resid 17 and name C )    (resid  18 and name N )
       (resid 18 and name CA)    (resid  18 and name C )   1  90.0   50.0  2
!! 3
assign (resid 20 and name C )    (resid  21 and name N )
       (resid 21 and name CA)    (resid  21 and name C )   1 -65.0   30.0  2
!! 4
assign (resid 23 and name C )    (resid  24 and name N )
       (resid 24 and name CA)    (resid  24 and name C )   1  90.0   60.0  2
!! 5
assign (resid 12 and name C )    (resid  13 and name N )
       (resid 13 and name CA)    (resid  13 and name C )   1  70.0   50.0  2


! chi angles
  !!    1
 assign (resid   1 and name N )   (resid   1 and name CA) 
        (resid   1 and name CB)   (resid   1 and name SG)   1  60.0   30.0  2
  !!    6
 assign (resid  13 and name N )   (resid  13 and name CA) 
        (resid  13 and name CB)   (resid  13 and name CG)   1 -60.0   30.0  2
  !!    7
 assign (resid  15 and name N )   (resid  15 and name CA) 
        (resid  15 and name CB)   (resid  15 and name SG)   1 -60.0   30.0  2
  !!    8
 assign (resid  16 and name N )   (resid  16 and name CA) 
        (resid  16 and name CB)   (resid  16 and name SG)   1 -60.0   30.0  2
  !!    8
 assign (resid  20 and name N )   (resid  20 and name CA) 
        (resid  20 and name CB)   (resid  20 and name SG)   1 180.0   30.0  2
  !!    9
 assign (resid  26 and name N )   (resid  26 and name CA) 
        (resid  26 and name CB)   (resid  26 and name SG)   1 -60.0   30.0  2
  !!   10
 assign (resid  19 and name N )   (resid  19 and name CA) 
        (resid  19 and name CB)   (resid  19 and name OG)   1  60.0   30.0  2




Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Tuesday, May 14, 2024 3:43:45 AM GMT (wattos1)